289151
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.8768   -0.3380   -0.4504 C   0  0  3  0  0  0  0  0  0  1
    4.2962   -0.4713   -1.2678 C   0  0  3  0  0  0  0  0  0  2
    5.3143   -0.0996   -0.1451 C   0  0  3  0  0  0  0  0  0  3
    3.2845   -1.4013    0.5682 C   0  0  3  0  0  0  0  0  0  4
    2.3589    1.0776    0.1072 C   0  0  0  0  0  0  0  0  0  5
    3.8435   -1.8275   -1.7947 C   0  0  0  0  0  0  0  0  0  6
    4.6637   -0.8945    0.9806 C   0  0  0  0  0  0  0  0  0  7
    3.3950   -2.5684   -0.4713 C   0  0  0  0  0  0  0  0  0  8
    5.5747    1.4070    0.1805 C   0  0  0  0  0  0  0  0  0  9
    3.2300    1.9319    1.0495 C   0  0  0  0  0  0  0  0  0 10
    4.4328    2.4071    0.3069 C   0  0  0  0  0  0  0  0  0 11
    6.7455   -0.6087   -0.4444 C   0  0  0  0  0  0  0  0  0 12
    1.9966    1.9614   -1.1098 C   0  0  0  0  0  0  0  0  0 13
    1.0620    0.7814    0.8850 C   0  0  0  0  0  0  0  0  0 14
    5.1439   -0.9695    2.2211 C   0  0  0  0  0  0  0  0  0 15
    2.0254   -0.7099   -1.0393 H   0  0  0  0  0  0  0  0  0 16
    4.8615   -1.3771   -1.0427 H   0  0  0  0  0  0  0  0  0 17
    2.6054   -1.6687    1.3892 H   0  0  0  0  0  0  0  0  0 18
    3.0109   -1.7230   -2.4903 H   0  0  0  0  0  0  0  0  0 19
    4.6625   -2.3545   -2.2841 H   0  0  0  0  0  0  0  0  0 20
    4.1408   -3.3000   -0.1604 H   0  0  0  0  0  0  0  0  0 21
    2.4336   -3.0640   -0.6069 H   0  0  0  0  0  0  0  0  0 22
    6.1069    1.4276    1.1315 H   0  0  0  0  0  0  0  0  0 23
    6.2256    1.7831   -0.6089 H   0  0  0  0  0  0  0  0  0 24
    2.6554    2.7893    1.3999 H   0  0  0  0  0  0  0  0  0 25
    3.5425    1.3300    1.9029 H   0  0  0  0  0  0  0  0  0 26
    4.8162    3.2883    0.8214 H   0  0  0  0  0  0  0  0  0 27
    4.1168    2.6820   -0.6994 H   0  0  0  0  0  0  0  0  0 28
    7.4114   -0.3218    0.3694 H   0  0  0  0  0  0  0  0  0 29
    7.1009   -0.1685   -1.3761 H   0  0  0  0  0  0  0  0  0 30
    6.7333   -1.6947   -0.5376 H   0  0  0  0  0  0  0  0  0 31
    1.6409    2.9312   -0.7622 H   0  0  0  0  0  0  0  0  0 32
    1.2139    1.4754   -1.6923 H   0  0  0  0  0  0  0  0  0 33
    2.8795    2.1011   -1.7337 H   0  0  0  0  0  0  0  0  0 34
    0.6605    1.7102    1.2901 H   0  0  0  0  0  0  0  0  0 35
    1.2769    0.0923    1.7017 H   0  0  0  0  0  0  0  0  0 36
    0.3300    0.3319    0.2139 H   0  0  0  0  0  0  0  0  0 37
    6.0599   -0.4404    2.4839 H   0  0  0  0  0  0  0  0  0 38
    4.6207   -1.5599    2.9733 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 17  1  0  0  0
  3  7  1  0  0  0
  3  9  1  0  0  0
  3 12  1  0  0  0
  4  7  1  0  0  0
  4  8  1  0  0  0
  4 18  1  0  0  0
  5 10  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  6  8  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7 15  2  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 11  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
289151

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAABgAYAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
PDSNLYSELAIEBU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C3C1C(C2=C)CC3)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCC2(C3C1C(C2=C)CC3)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  5  3
2  6  3
3  12  3
4  8  3

$$$$